IFH

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	CAM	sing	1.35Å	1.35Å
C6	N5	doub	1.32Å	1.41Å	Aromatic
C6	C7	sing	1.40Å	1.41Å	Aromatic
N5	C4A	sing	1.33Å	1.35Å	Aromatic
O4	C4	doub	1.22Å	1.23Å
CAM	C7	sing	1.48Å	1.41Å
CAM	OAO	doub	1.22Å	1.24Å
C7	N8	doub	1.33Å	1.35Å	Aromatic
C4A	C4	sing	1.48Å	1.41Å
C4A	C8A	doub	1.42Å	1.40Å	Aromatic
C4	N3	sing	1.35Å	1.40Å
N8	C8A	sing	1.33Å	1.35Å	Aromatic
C8A	N1	sing	1.35Å	1.34Å
N3	C2	sing	1.36Å	1.40Å
N1	C2	doub	1.31Å	1.34Å
C2	N2	sing	1.37Å	1.33Å
C6	H1	sing	1.08Å	1.08Å
N2	H2	sing	0.97Å	1.00Å
N2	H3	sing	0.97Å	1.00Å
N3	H4	sing	0.97Å	1.00Å
N	H5	sing	0.97Å	1.00Å
N	CA	sing	1.47Å	23.50Å
CA	CAQ	sing	1.51Å	0.00Å
CAQ	CAR	sing	1.38Å	0.00Å	Aromatic
CAR	CAS	doub	1.38Å	0.00Å	Aromatic
CAS	CAT	sing	1.38Å	0.00Å	Aromatic
CAT	CAU	doub	1.38Å	0.00Å	Aromatic
CAU	CAV	sing	1.38Å	0.00Å	Aromatic
CAV	CAQ	doub	1.38Å	0.00Å	Aromatic
CA	C	sing	1.51Å	0.00Å
C	OXT	sing	1.34Å	0.00Å
C	O	doub	1.21Å	0.00Å
CA	H6	sing	1.09Å	0.00Å
CAR	H7	sing	1.08Å	0.00Å
CAS	H8	sing	1.08Å	0.00Å
CAT	H9	sing	1.08Å	0.00Å
CAU	H10	sing	1.08Å	0.00Å
CAV	H11	sing	1.08Å	0.00Å
OXT	H12	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	CAM	C7	116.5°	120.0°
N	CAM	OAO	122.3°	120.0°
CAM	N	H5	137.1°	120.0°
CAM	N	CA	85.9°	120.0°
N5	C6	C7	120.3°	120.4°
C6	N5	C4A	119.8°	119.7°
N5	C6	H1	119.8°	119.8°
C6	C7	CAM	122.5°	119.7°
C6	C7	N8	118.0°	120.5°
C7	C6	H1	119.8°	119.8°
N5	C4A	C4	122.2°	121.7°
N5	C4A	C8A	118.7°	120.3°
O4	C4	C4A	122.2°	121.2°
O4	C4	N3	118.6°	121.3°
C7	CAM	OAO	121.1°	120.0°
CAM	C7	N8	119.5°	119.7°
C7	N8	C8A	121.8°	119.6°
C4	C4A	C8A	119.0°	118.0°
C4A	C4	N3	119.2°	117.5°
C4A	C8A	N8	121.4°	119.5°
C4A	C8A	N1	120.0°	119.2°
C4	N3	C2	119.0°	120.5°
C4	N3	H4	120.5°	119.8°
N8	C8A	N1	118.6°	121.4°
C8A	N1	C2	122.7°	121.7°
N3	C2	N1	120.1°	123.2°
N3	C2	N2	120.4°	118.4°
C2	N3	H4	120.5°	119.8°
N1	C2	N2	119.5°	118.4°
C2	N2	H2	120.0°	120.0°
C2	N2	H3	120.0°	120.0°
H2	N2	H3	120.0°	120.0°
H5	N	CA	137.1°	120.0°
N	CA	CAQ	90.0°	109.5°
N	CA	C	90.0°	109.4°
N	CA	H6	90.0°	109.5°
CA	CAQ	CAR	90.0°	120.0°
CA	CAQ	CAV	90.0°	120.0°
CAQ	CA	C	90.0°	109.5°
CAQ	CA	H6	90.0°	109.5°
CAQ	CAR	CAS	90.0°	120.0°
CAR	CAQ	CAV	90.0°	120.0°
CAQ	CAR	H7	90.0°	120.0°
CAR	CAS	CAT	90.0°	120.0°
CAS	CAR	H7	90.0°	120.0°
CAR	CAS	H8	90.0°	120.0°
CAS	CAT	CAU	90.0°	120.0°
CAT	CAS	H8	90.0°	120.0°
CAS	CAT	H9	90.0°	120.0°
CAT	CAU	CAV	90.0°	120.0°
CAU	CAT	H9	90.0°	120.0°
CAT	CAU	H10	90.0°	120.0°
CAU	CAV	CAQ	90.0°	120.0°
CAV	CAU	H10	90.0°	120.0°
CAU	CAV	H11	90.0°	120.0°
CAQ	CAV	H11	90.0°	120.0°
CA	C	OXT	90.0°	119.9°
CA	C	O	90.0°	120.0°
C	CA	H6	90.0°	109.5°
OXT	C	O	90.0°	120.0°
C	OXT	H12	90.0°	117.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	CAM	C7	C6	3.9°	179.7°
N	CAM	C7	OAO	176.9°	179.9°
N	CAM	C7	N8	175.1°	0.0°
CAM	N	H5	CA	180.0°	180.0°
CAM	N	CA	CAQ	90.0°	155.0°
CAM	N	CA	C	90.0°	85.0°
CAM	N	CA	H6	90.0°	35.0°
N5	C6	C7	H1	180.0°	180.0°
N5	C6	C7	CAM	178.9°	179.7°
N5	C6	C7	N8	0.1°	0.0°
C6	N5	C4A	C4	179.6°	179.9°
C6	N5	C4A	C8A	0.5°	0.0°
C7	C6	N5	C4A	0.1°	0.0°
C6	C7	CAM	N8	179.0°	179.7°
C6	C7	CAM	OAO	179.2°	0.3°
C6	C7	N8	C8A	0.2°	0.0°
N5	C4A	C4	O4	0.8°	0.1°
N5	C4A	C4	C8A	179.8°	180.0°
N5	C4A	C4	N3	179.8°	180.0°
N5	C4A	C8A	N8	0.8°	0.0°
N5	C4A	C8A	N1	179.8°	180.0°
C4A	N5	C6	H1	179.9°	180.0°
O4	C4	C4A	N3	179.0°	180.0°
O4	C4	C4A	C8A	179.0°	180.0°
O4	C4	N3	C2	179.5°	180.0°
O4	C4	N3	H4	0.5°	0.0°
CAM	C7	N8	C8A	179.2°	179.7°
CAM	C7	C6	H1	1.1°	0.3°
C7	CAM	N	H5	10.4°	0.0°
C7	CAM	N	CA	169.7°	180.0°
OAO	CAM	C7	N8	1.8°	180.0°
OAO	CAM	N	H5	166.5°	179.9°
OAO	CAM	N	CA	13.5°	0.0°
C7	N8	C8A	C4A	0.6°	0.0°
C7	N8	C8A	N1	179.6°	180.0°
N8	C7	C6	H1	179.9°	180.0°
C4	C4A	C8A	N8	179.4°	179.9°
C4	C4A	C8A	N1	0.4°	0.0°
C4A	C4	N3	C2	0.5°	0.0°
C4A	C4	N3	H4	179.5°	180.0°
C8A	C4A	C4	N3	0.0°	0.0°
C4A	C8A	N8	N1	179.0°	179.9°
C4A	C8A	N1	C2	0.4°	0.0°
C4	N3	C2	H4	180.0°	180.0°
C4	N3	C2	N1	0.6°	0.0°
C4	N3	C2	N2	179.7°	180.0°
N8	C8A	N1	C2	179.4°	179.9°
C8A	N1	C2	N3	0.1°	0.0°
C8A	N1	C2	N2	179.8°	180.0°
N3	C2	N1	N2	179.7°	180.0°
N3	C2	N2	H2	179.7°	180.0°
N3	C2	N2	H3	0.3°	0.0°
N1	C2	N2	H2	0.0°	0.0°
N1	C2	N2	H3	180.0°	180.0°
N1	C2	N3	H4	179.4°	180.0°
C2	N2	H2	H3	180.0°	180.0°
N2	C2	N3	H4	0.3°	0.0°
H5	N	CA	CAQ	90.0°	25.0°
H5	N	CA	C	90.0°	95.0°
H5	N	CA	H6	90.0°	145.0°
N	CA	CAQ	C	90.0°	120.0°
N	CA	CAQ	H6	90.0°	120.0°
N	CA	CAQ	CAR	90.0°	140.0°
N	CA	CAQ	CAV	90.0°	39.7°
N	CA	C	H6	90.0°	120.0°
N	CA	C	OXT	90.0°	180.0°
N	CA	C	O	90.0°	0.0°
CA	CAQ	CAR	CAV	90.0°	179.7°
CA	CAQ	CAR	CAS	90.0°	180.0°
CA	CAQ	CAV	CAU	90.0°	179.8°
CAQ	CA	C	H6	90.0°	120.1°
CAQ	CA	C	OXT	90.0°	60.0°
CAQ	CA	C	O	90.0°	120.0°
CA	CAQ	CAR	H7	90.0°	0.0°
CA	CAQ	CAV	H11	90.0°	0.2°
CAQ	CAR	CAS	H7	90.0°	180.0°
CAQ	CAR	CAS	CAT	90.0°	0.0°
CAR	CAQ	CAV	CAU	90.0°	0.5°
CAR	CAQ	CA	C	90.0°	100.0°
CAR	CAQ	CA	H6	90.0°	20.0°
CAQ	CAR	CAS	H8	90.0°	180.0°
CAR	CAQ	CAV	H11	90.0°	180.0°
CAR	CAS	CAT	H8	90.0°	180.0°
CAR	CAS	CAT	CAU	90.0°	0.0°
CAS	CAR	CAQ	CAV	90.0°	0.3°
CAR	CAS	CAT	H9	90.0°	180.0°
CAS	CAT	CAU	H9	90.0°	180.0°
CAS	CAT	CAU	CAV	90.0°	0.2°
CAT	CAS	CAR	H7	90.0°	180.0°
CAS	CAT	CAU	H10	90.0°	180.0°
CAT	CAU	CAV	H10	90.0°	179.8°
CAT	CAU	CAV	CAQ	90.0°	0.4°
CAU	CAT	CAS	H8	90.0°	180.0°
CAT	CAU	CAV	H11	90.0°	180.0°
CAU	CAV	CAQ	H11	90.0°	179.6°
CAV	CAU	CAT	H9	90.0°	179.8°
CAV	CAQ	CA	C	90.0°	80.2°
CAV	CAQ	CA	H6	90.0°	159.7°
CAV	CAQ	CAR	H7	90.0°	179.7°
CAQ	CAV	CAU	H10	90.0°	179.7°
CA	C	OXT	O	90.0°	179.9°
CA	C	OXT	H12	90.0°	180.0°
OXT	C	CA	H6	90.0°	60.1°
O	C	CA	H6	90.0°	120.0°
O	C	OXT	H12	90.0°	0.0°
H7	CAR	CAS	H8	90.0°	0.1°
H8	CAS	CAT	H9	90.0°	0.0°
H9	CAT	CAU	H10	90.0°	0.0°
H10	CAU	CAV	H11	90.0°	0.2°

Release date:	2022-12-21
Definition date:	2022-06-28
Last modified:	2022-12-16
Release status:	REL
Processing site:	PDBJ
Derived from:	7Y05